#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2101556.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101556
loop_
_publ_author_name
'McMullan, R. K.'
'Ghose, S.'
'Haga, N.'
'Schomaker, V.'
_publ_section_title
;
 Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high
 temperatures by neutron diffraction
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              616
_journal_page_last               627
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_[local]_cod_chemical_formula_sum_orig 'Al3 Cl1 Na4 O12 Si3'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.8820(10)
_cell_length_b                   8.8820(10)
_cell_length_c                   8.8820(10)
_cell_volume                     700.7(2)
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.05560(10)
_exptl_crystal_density_diffrn    2.297
_[local]_cod_data_source_file    cr0505.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O .13925(4) .43851(4) .14954(4)
Na .1778(2) .1778(2) .1778(2)
Si .25 .0 .5
Al .25 .5 .0
Cl .0 .0 .0
_cod_database_code 2101556